SCHEMBL31054377

SCHEMBL31054377

Cc1cc(O)cc(C)c1Oc1cc(C(C)C)c(Cl)nn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 14/20 0.38
▸ THRB P10828 14/20 0.38
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22660386 0.87 THRA (0.41) THRATHRB
SCHEMBL30398362 0.87 THRA (0.41) THRATHRB
SCHEMBL31054367 0.85 THRA (0.36) THRATHRBGABRA1GABRB1
SCHEMBL2923676 0.80 THRB (0.63) THRATHRB
SCHEMBL38660363 0.79 THRB (0.40) THRATHRBLMNA
SCHEMBL22632552 0.79 THRB (0.40) THRATHRBLMNA
SCHEMBL2926178 0.79 THRA (0.49) THRATHRB
SCHEMBL31054368 0.77 THRA (0.33) THRATHRB
SCHEMBL24548618 0.76 THRB (0.36) THRATHRBLMNAADRA1A
SCHEMBL2923821 0.75 THRB (0.69) THRATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290483-A Pyridazinone compound and application thereof 烟台药物研究所 2024-07-05 — — CN disclosed
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